Molecule Details
| InChIKey | IQPSEEYGBUAQFF-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00213 |
|---|---|
| Drug Name | Pantoprazole |
| CAS Number | 102625-70-7 |
| Groups | approved investigational |
| ATC Codes | A02BD04 A02BD11 A02BC02 |
| Description | Pantoprazole is a first-generation proton pump inhibitor (PPI) used for the management of gastroesophageal reflux disease (GERD), for gastric protection to prevent recurrence of stomach ulcers or gastric damage from chronic use of NSAIDs, and for the treatment of pathological hypersecretory conditio... |
Categories: 2-Pyridinylmethylsulfinylbenzimidazoles Acid Reducers Alimentary Tract and Metabolism Anti-Ulcer Agents BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Benzimidazoles Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs for Acid Related Disorders Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord) Drugs that are Mainly Renally Excreted Enzyme Inhibitors Gastric Acid Lowering Agents Gastrointestinal Agents Heterocyclic Compounds, Fused-Ring OAT3/SLC22A8 Inhibitors OATP1B1/SLCO1B1 Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Proton Pump Inhibitors Proton-pump Inhibitors Pyridines Sulfoxides Sulfur Compounds
Cross-references: BindingDB: 50241342 ChEBI: 7915 CHEMBL1502 ChemSpider: 4517 Drugs Product Database (DPD): 11086 C11806 D05353 PharmGKB: PA450774 PubChem:4679 PubChem:46504622 RxCUI: 40790 Therapeutic Targets Database: DAP000724 Wikipedia: Pantoprazole
Target Activities (2)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| O94760 | O94760 | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | inhibitor | targets |
| P20648 | ATP4A | Potassium-transporting ATPase alpha chain 1 | inhibitor | targets |
| P51164 | ATP4B | Potassium-transporting ATPase subunit beta | modulator | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |